UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 123

Sortiert nach

The VIZIER project: Preparedness against pathogenic RNA viruses

Antiviral research, 2008-04, Vol.78 (1), p.37-46

2008

Link zum Volltext

Verfügbarkeit prüfen

Computational inhibitor design against malaria plasmepsins

Cellular and molecular life sciences : CMLS, 2007-09, Vol.64 (17), p.2285-2305

2007

Link zum Volltext

Verfügbarkeit prüfen

A new method for predicting binding affinity in computer-aided drug design

Protein engineering, 1994-03, Vol.7 (3), p.385-391

1994

Link zum Volltext

Verfügbarkeit prüfen

The linear interaction energy method for predicting ligand binding free energies

Combinatorial chemistry & high throughput screening, 2001-12, Vol.4 (8), p.613

2001

Link zum Volltext

Verfügbarkeit prüfen

Design, Synthesis, Computational Prediction, and Biological Evaluation of Ester Soft Drugs as Inhibitors of Dihydrofolate Reductase from Pneumocystis carinii

Journal of medicinal chemistry, 2001-07, Vol.44 (15), p.2391-2402

2001

Link zum Volltext

Verfügbarkeit prüfen

Mechanism of Peptide Bond Synthesis on the Ribosome

Proceedings of the National Academy of Sciences - PNAS, 2005-08, Vol.102 (35), p.12395-12400

2005

Link zum Volltext

Verfügbarkeit prüfen

Exploring blocker binding to a homology model of the open hERG K + channel using docking and molecular dynamics methods

FEBS letters, 2005-05, Vol.579 (13), p.2939-2944

2005

Link zum Volltext

Verfügbarkeit prüfen

Absolute and Relative Entropies from Computer Simulation with Applications to Ligand Binding

The journal of physical chemistry. B, 2005-04, Vol.109 (13), p.6448-6456

2005

Link zum Volltext

Verfügbarkeit prüfen

Sensitivity of an empirical affinity scoring function to changes in receptor–ligand complex conformations

European journal of pharmaceutical sciences, 2001-08, Vol.14 (1), p.87-95

2001

Link zum Volltext

Verfügbarkeit prüfen

Ion permeation mechanism of the potassium channel

Nature (London), 2000-04, Vol.404 (6780), p.881-884

2000

Link zum Volltext

Verfügbarkeit prüfen

Analysis of Predictions for the Catalytic Mechanism of Ribosomal Peptidyl Transfer

Biochemistry (Easton), 2006-06, Vol.45 (23), p.7049-7056

2006

Link zum Volltext

Verfügbarkeit prüfen

High-resolution structure of a BRICHOS domain and its implications for anti-amyloid chaperone activity on lung surfactant protein C

Proceedings of the National Academy of Sciences - PNAS, 2012-02, Vol.109 (7), p.2325-2329

2012

Link zum Volltext

Verfügbarkeit prüfen

Ions and blockers in potassium channels: insights from free energy simulations

Biochimica et biophysica acta, 2005-02, Vol.1747 (1), p.109-120

2005

Link zum Volltext

Verfügbarkeit prüfen

Catalytic Adaptation of Psychrophilic Elastase

Biochemistry (Easton), 2018-05, Vol.57 (20), p.2984-2993

2018

Link zum Volltext

Verfügbarkeit prüfen

Ligand Binding Affinities from MD Simulations

Accounts of chemical research, 2002-06, Vol.35 (6), p.358-365

2002

Link zum Volltext

Verfügbarkeit prüfen

Computer simulations of enzymatic reactions: examination of linear free-energy relationships and quantum-mechanical corrections in the initial proton-transfer step of carbonic anhydrase

Faraday discussions, 1992, Vol.93 (93), p.225-238

1992

Link zum Volltext

Verfügbarkeit prüfen

On the Reactivity of Phosphate Monoester Dianions in Aqueous Solution: Brønsted Linear Free-Energy Relationships Do Not Have an Unique Mechanistic Interpretation

Journal of the American Chemical Society, 1998-11, Vol.120 (44), p.11524-11525

1998

Link zum Volltext

Verfügbarkeit prüfen

The Deacylation Step of Acetylcholinesterase: Computer Simulation Studies

Journal of the American Chemical Society, 2000-12, Vol.122 (49), p.12254-12262

2000

Link zum Volltext

Verfügbarkeit prüfen

Computational modelling of inhibitor binding to human thrombin

European journal of pharmaceutical sciences, 2001-02, Vol.12 (4), p.441-446

2001

Link zum Volltext

Verfügbarkeit prüfen

Binding to and Inhibition of Insulin-Regulated Aminopeptidase by Macrocyclic Disulfides Enhances Spine Density

Molecular pharmacology, 2016-04, Vol.89 (4), p.413-424

2016

Link zum Volltext

Verfügbarkeit prüfen

Molecular dynamics simulations of water and biomolecules with a Monte Carlo constant pressure algorithm

Chemical physics letters, 2004-01, Vol.384 (4), p.288-294

2004

Link zum Volltext

Verfügbarkeit prüfen

Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches

Chemical reviews, 1993-11, Vol.93 (7), p.2523-2544

1993

Link zum Volltext

Verfügbarkeit prüfen

Computational Prediction of Structure, Substrate Binding Mode, Mechanism, and Rate for a Malaria Protease with a Novel Type of Active Site

Biochemistry (Easton), 2004-11, Vol.43 (46), p.14521-14528

2004

Link zum Volltext

Verfügbarkeit prüfen

Binding affinity prediction with different force fields: Examination of the linear interaction energy method

Journal of computational chemistry, 2004-07, Vol.25 (10), p.1242-1254

2004

Link zum Volltext

Verfügbarkeit prüfen

Synthesis, Evaluation and Proposed Binding Pose of Substituted Spiro‐Oxindole Dihydroquinazolinones as IRAP Inhibitors

ChemistryOpen (Weinheim), 2020-03, Vol.9 (3), p.325-337

2020

Link zum Volltext

Verfügbarkeit prüfen

1 – 25 von 123

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(109)
Mit Volltextzugriff
(118)

Publikationsform

Artikel
(121)
Bücher
(2)

Sprache

Englisch
(122)
Japanisch
(18)
Russisch
(1)

Erscheinungsjahr

n.n

Thema

15 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

The VIZIER project: Preparedness against pathogenic RNA viruses

Computational inhibitor design against malaria plasmepsins

A new method for predicting binding affinity in computer-aided drug design

The linear interaction energy method for predicting ligand binding free energies

Design, Synthesis, Computational Prediction, and Biological Evaluation of Ester Soft Drugs as Inhibitors of Dihydrofolate Reductase from Pneumocystis carinii

Mechanism of Peptide Bond Synthesis on the Ribosome

Exploring blocker binding to a homology model of the open hERG K + channel using docking and molecular dynamics methods

Absolute and Relative Entropies from Computer Simulation with Applications to Ligand Binding

Sensitivity of an empirical affinity scoring function to changes in receptor–ligand complex conformations

Ion permeation mechanism of the potassium channel

Analysis of Predictions for the Catalytic Mechanism of Ribosomal Peptidyl Transfer

High-resolution structure of a BRICHOS domain and its implications for anti-amyloid chaperone activity on lung surfactant protein C

Ions and blockers in potassium channels: insights from free energy simulations

Catalytic Adaptation of Psychrophilic Elastase

Ligand Binding Affinities from MD Simulations

Computer simulations of enzymatic reactions: examination of linear free-energy relationships and quantum-mechanical corrections in the initial proton-transfer step of carbonic anhydrase

On the Reactivity of Phosphate Monoester Dianions in Aqueous Solution: Brønsted Linear Free-Energy Relationships Do Not Have an Unique Mechanistic Interpretation

The Deacylation Step of Acetylcholinesterase: Computer Simulation Studies

Computational modelling of inhibitor binding to human thrombin

Binding to and Inhibition of Insulin-Regulated Aminopeptidase by Macrocyclic Disulfides Enhances Spine Density

Molecular dynamics simulations of water and biomolecules with a Monte Carlo constant pressure algorithm

Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches

Computational Prediction of Structure, Substrate Binding Mode, Mechanism, and Rate for a Malaria Protease with a Novel Type of Active Site

Binding affinity prediction with different force fields: Examination of the linear interaction energy method

Synthesis, Evaluation and Proposed Binding Pose of Substituted Spiro‐Oxindole Dihydroquinazolinones as IRAP Inhibitors

Suchergebnisse filtern